1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine

C13H18BrN — CID 115049925

IUPAC1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(c2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrN/c1-15(2)13(9-5-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyDWMXJZZYDZPOMA-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.78
Rot. Bonds2

About 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine

1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine (PubChem CID 115049925) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
PubChem CID115049925
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(c2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrN/c1-15(2)13(9-5-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyDWMXJZZYDZPOMA-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine (CID 115049925) is 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine is CN(C)C1(c2ccccc2Br)CCCC1.
What is the InChIKey of 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine?
The InChIKey is DWMXJZZYDZPOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-15(2)13(9-5-6-10-13)11-7-3-4-8-12(11)14/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine?
1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115049925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).